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Application

Discovery Studio 1.0 Materials Studio 0.9716176859941753 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06722750548646672 Amorphous Cell 0.2755669348939283 Blends 0.002926115581565472 CASTEP 0.41719092904169713 CDOCKER 0.1793708851499634 CHARMm 0.2607168983174835 COMPASS 0.3739575713240673 COMPASS III 0.07220190197512802 COSMObase 0.002779809802487198 COSMOconf 0.0032918800292611556 COSMOmic 2.194586686174104E-4 COSMOperm 0.0012435991221653256 COSMOplex 2.926115581565472E-4 COSMOquick 0.0015362106803218727 COSMOtherm 0.06386247256766642 Cantera 7.31528895391368E-5 Catalyst 0.12238478419897586 Classical Simulations 1.0 Conformers 0.0012435991221653256 Crystallization 0.0761521580102414 DFTB Plus 0.005998536942209217 DMol3 0.19217264081931237 DPD 0.0030724213606437454 Discover 0.005120702267739576 Forcite 0.5302852962692026 GULP 0.026920263350402342 Kinetix 2.194586686174104E-4 LUDI 0.005998536942209217 LibDock 0.07168983174835405 LigandFit 0.008193123628383321 MCSS 0.0015362106803218727 MODELER 0.19414776883686904 MesoDyn 0.0017556693489392831 Mesocite 0.004169714703730797 Mesoscale 0.007827359180687637 Modules 0.0 Morphology 0.017629846378931967 ONETEP 0.0011704462326261888 Polymorph 0.0019019751280175566 QMERA 2.194586686174104E-4 QSAR 0.0016093635698610094 Quantum Mechanics 0.5967812728602779 Reflex 0.056327724945135334 Reflex Plus 6.583760058522311E-4 Semi-empirical 0.008119970738844184 Sorption 0.05479151426481346 Synthia 0.001389904901243599 TURBOMOLE 5.852231163130944E-4 VAMP 0.0017556693489392831 Visualization 0.8981711777615216 X-Cell 0.0011704462326261888 ZDOCK 0.03087051938551573

Year

2020 0.04699009398018796 2021 0.23622047244094488 2022 0.2930319193971721 2023 0.46930827194987723 2024 1.0 2025 0.9683346033358733 2026 0.35991871983743967 2027 0.0

Keywords

target 1.0 potential 0.2575720641111585 visualization 0.21387653117191785 docking 0.21384606008897555 analysis 0.17520872691815467 between 0.14976537266134438 novel 0.0979035894935706 energy 0.07962093972819793 binding 0.067767688463648 cell 0.054573709549637396 activity 0.05125236150892803 promising 0.040191358400877564 interaction 0.03842403559022488 experimental 0.026753610823328663 synthesized 0.025900420500944602 stability 0.022731427874946676 protein 0.0181912365165458 mechanism 0.016149673959412518 development 0.01377292948991407 effective 0.013590102992260345 performance 0.011304771771588762 synthesis 0.010878176610396733 including 0.0053019684319580715 chemical 0.0024072155524407337 design 0.0
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